3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid

C12H23FO3Si — CID 67189653

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(C(=O)O)CC1F
InChIInChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)16-10-7-8(11(14)15)6-9(10)13/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyLRHSHYHJWLWBAA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.21
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid

3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid (PubChem CID 67189653) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid
PubChem CID67189653
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(C(=O)O)CC1F
InChIInChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)16-10-7-8(11(14)15)6-9(10)13/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyLRHSHYHJWLWBAA-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid (CID 67189653) is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CC(C(=O)O)CC1F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid?
The InChIKey is LRHSHYHJWLWBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)16-10-7-8(11(14)15)6-9(10)13/h8-10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid?
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid has a molecular weight of 262.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 67189653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).